Hexa-2,4-diyne-d6
TL;DR: Hexa-2,4-diyne-d6 (CAS 64034-87-3) is a chemical compound with molecular formula C6H6 and molecular weight 84.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,6,6,6-hexadeuteriohexa-2,4-diyne
Also Known As: Hexa-2,4-diyne-d6, Dimethylbutadiyne, 2,4-hexadiyne-d6, (~2~H_6_)Hexa-2,4-diyne, 1,1,1,6,6,6-hexadeuteriohexa-2,4-diyne
| Molecular Formula | C6H6 |
|---|---|
| Molecular Weight | 84.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.08461 |
| Heavy Atoms | 6 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 64034-87-3 |
|---|---|
| SMILES | [2H]C([2H])([2H])C#CC#CC([2H])([2H])[2H] |
| InChIKey | PCTCNWZFDASPLA-WFGJKAKNSA-N |
Product Overview
Hexa-2,4-diyne-d6 (CAS 64034-87-3), with molecular formula C6H6 and molecular weight 84.08 g/mol. IUPAC: 1,1,1,6,6,6-hexadeuteriohexa-2,4-diyne.
Chemical Property Profile of Hexa-2,4-diyne-d6
Property Insights of Hexa-2,4-diyne-d6
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexa-2,4-diyne-d6. With a topological polar surface area (TPSA) of 0.0 Ų, Hexa-2,4-diyne-d6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-2,4-diyne-d6 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexa-2,4-diyne-d6?
The CAS number of Hexa-2,4-diyne-d6 is 64034-87-3.
What is the molecular formula of Hexa-2,4-diyne-d6?
The molecular formula of Hexa-2,4-diyne-d6 is C6H6.
What is the molecular weight of Hexa-2,4-diyne-d6?
The molecular weight of Hexa-2,4-diyne-d6 is 84.08 g/mol.
Where can I buy Hexa-2,4-diyne-d6?
You can request a quote for Hexa-2,4-diyne-d6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa-2,4-diyne-d6?
Yes, KEHONG BIO provides custom synthesis services for Hexa-2,4-diyne-d6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.